SCHEMBL10604337

SCHEMBL10604337

NC(C1CCCCC1)(C1CCCCC1)n1nnc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
THPO P40225 1/20 0.42
CYP4Z1 Q86W10 1/20 0.42
USP2 O75604 2/20 0.40
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
SLC9A1 P19634 3/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 2/20 0.39
ATM Q13315 1/20 0.39
KEAP1 Q14145 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38

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
SCHEMBL25800279 0.82 SLC9A1 (0.42) ALDH1A1CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL25808818 0.76 SLC9A1 (0.41) ALDH1A1CYP2C9CYP4Z1USP2CCNE1
SCHEMBL10607208 0.72 SLC9A1 (0.52) ALDH1A1CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL8631035 0.72 MAPT (0.52) ALDH1A1CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL19257190 0.70 POLB (0.46) ALDH1A1USP2CCNE1CDK2MAPK8
SCHEMBL10605617 0.69 MAPT (0.48) ALDH1A1CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL29152989 0.69 USP2 (0.66) ALDH1A1CYP3A4CYP2D6MAPTUSP2
SCHEMBL16372562 0.69 USP2 (0.66) ALDH1A1CYP3A4CYP2D6MAPTUSP2
SCHEMBL241247 0.69 CCNE1 (0.49) ALDH1A1CYP4Z1USP2CCNE1CDK2
SCHEMBL10606076 0.68 SLC9A1 (0.51) ALDH1A1CYP2C9CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0205398-B1 ADDITIVE FOR FUNCTIONAL FLUIDS CIBA-GEIGY AG (CH) 1989-11-08 EP disclosed
US-4791206-A METAL PASSIVATING, OXIDATION RESISTANCE CIBA-GEIGY CORPORATION (US) 1988-12-13 US disclosed
EP-0205398-A1 Additive for functional fluids CIBA-GEIGY AG (CH) 1986-12-17 EP disclosed