SCHEMBL8610753

SCHEMBL8610753

C1=C(Cc2ccccc2)N=NC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 1/20 0.44
▸ TAAR1 Q96RJ0 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SORT1 Q99523 1/20 0.34
▸ BCL2 P10415 1/20 0.33

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
Diphenylmethane SCHEMBL4361124 0.65 CALM1 (1.00) CALM1LMNATSHRALDH1A1BCL2
Diphenylmethane SCHEMBL3792579 0.65 CALM1 (1.00) CALM1LMNATSHRALDH1A1BCL2
Diphenylmethane SCHEMBL28172316 0.65 CALM1 (1.00) CALM1LMNATSHRALDH1A1BCL2
Diphenylmethane SCHEMBL14763944 0.65 CALM1 (1.00) CALM1LMNATSHRALDH1A1BCL2
Diphenylmethane SCHEMBL1303 0.65 CALM1 (1.00) CALM1LMNATSHRALDH1A1BCL2
SCHEMBL4368908 0.64 CALM1 (0.46) CALM1TAAR1LMNACYP2D6CYP1A2
Diphenylmethane SCHEMBL28072604 0.63 CALM1 (0.80) CALM1LMNASIGMAR1BCL2BCL2L1
SCHEMBL1923108 0.62 CALM1 (0.58) CALM1TAAR1LMNACYP2D6CYP1A2
SCHEMBL2681077 0.62 CALM1 (0.44) CALM1TAAR1TSHRALDH1A1RAB9A
SCHEMBL7776289 0.62 ALDH1A1 (0.36) SIGMAR1ALDH1A1RAB9ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937046-A2 SUBSTITUTED 3-BENZYLPYRAZOLES AND THEIR USE AS HERBICIDES AND FOR LOWERING THE SUGAR CONTENT IN BLOOD BASF AKTIENGESELLSCHAFT (DE) 1999-08-25 — — EP claimed
WO-1998020000-A2 SUBSTITUTED 3-BENZYLPYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-05-14 — — WO claimed
EP-0937046-A2 SUBSTITUTED 3-BENZYLPYRAZOLES AND THEIR USE AS HERBICIDES AND FOR LOWERING THE SUGAR CONTENT IN BLOOD BASF AKTIENGESELLSCHAFT (DE) 1999-08-25 — — EP disclosed
WO-1998020000-A2 SUBSTITUTED 3-BENZYLPYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-05-14 — — WO disclosed
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