SCHEMBL8909503

SCHEMBL8909503

O=[C]C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 4/20 0.48
ALPG P10696 2/20 0.48
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
IDO1 P14902 2/20 0.41
TDO2 P48775 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9180217 0.91 ALDH1A1 (0.54) LMNASMN1; SMN2ALDH1A1ALPGHPGD
SCHEMBL27353117 0.82 LMNA (0.38) LMNASMN1; SMN2ALDH1A1ALPGHPGD
SCHEMBL27693167 0.77 LMNA (0.40) LMNASMN1; SMN2ALDH1A1ALPGHPGD
SCHEMBL9782123 0.75 IDO1 (0.38) LMNASMN1; SMN2ALDH1A1ALPGHPGD
SCHEMBL6141138 0.75 IDO1 (0.38) LMNASMN1; SMN2ALDH1A1ALPGHTT
SCHEMBL10953516 0.75 HDAC3 (0.42) LMNASMN1; SMN2ALDH1A1ALPGHPGD
SCHEMBL2797335 0.75 HDAC3 (0.42) LMNASMN1; SMN2ALDH1A1ALPGHPGD
SCHEMBL205813 0.74 LMNA (0.44) LMNASMN1; SMN2ALDH1A1ALPGHPGD
SCHEMBL3335587 0.74 TSHR (0.44) LMNAALDH1A1HPGDTDP1IDO1
SCHEMBL1508006 0.74 ALDH1A1 (0.70) LMNASMN1; SMN2ALDH1A1ALPGHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622953-A DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
EP-0691962-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1996-01-17 EP disclosed
US-5405843-A Anticancer drug potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-04-11 US disclosed
EP-0363212-B1 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS (JP) 1995-01-04 EP disclosed
WO-1994022842-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 WO disclosed
US-5204348-A Quinoline derivatives MITSUI TOATSU CHEMICALS INC. (JP) 1993-04-20 US disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 EP disclosed