SCHEMBL9729478

SCHEMBL9729478

ON=C(Cc1cccnc1)c1c(F)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAPRT Q6XQN6 1/20 0.42
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
MAPK7 Q13164 1/20 0.39
MAPK14 Q16539 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TRPA1 O75762 1/20 0.38
P2RX7 Q99572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CHRNA7 P36544 1/20 0.37

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
SCHEMBL9730061 0.90 NAPRT (0.47) NPSR1KMT2AALDH1A1LMNANAPRT
SCHEMBL9729603 0.73 LMNA (0.52) KMT2AALDH1A1LMNANAPRTP2RX7
SCHEMBL9730160 0.73 IDO1 (0.44) KMT2AALDH1A1LMNANAPRTCYP1A2
SCHEMBL9323795 0.72 NAPRT (0.54) KMT2ALMNANAPRTCYP1A2CYP3A4
SCHEMBL9323799 0.72 NAPRT (0.54) KMT2ALMNANAPRTCYP1A2CYP3A4
SCHEMBL9729510 0.70 NAPRT (0.37) NPSR1ALDH1A1LMNANAPRTCYP1A2
SCHEMBL9730751 0.69 NAPRT (0.35) ALDH1A1LMNANAPRTCYP1A2CYP3A4
SCHEMBL5634650 0.66 NAPRT (0.55) ALDH1A1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL10744051 0.66 NAPRT (0.55) KMT2AALDH1A1L3MBTL1NAPRTCYP1A2
SCHEMBL3524143 0.66 NAPRT (0.55) ALDH1A1NAPRTCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5171354-A Herbicides CIBA-GEIGY CORPORATION (US) 1992-12-15 US disclosed
EP-0445069-A1 Heterocyclic compounds CIBA-GEIGY AG (CH) 1991-09-04 EP disclosed