SCHEMBL11614092

SCHEMBL11614092

COc1cc(C=CN(C)C)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ MAPT P10636 5/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ PRKDC P78527 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ KDM4A O75164 1/20 0.40
▸ KDM4B O94953 1/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ PREP P48147 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ CYP19A1 P11511 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 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
SCHEMBL11845012 0.88 ALDH1A1 (0.64) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL11845006 0.88 ALDH1A1 (0.64) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL6438285 0.85 KDM4A (0.49) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL6438274 0.85 KDM4A (0.49) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL25405954 0.83 MAPT (0.50) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL3257588 0.83 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL31236297 0.83 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL11614751 0.83 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL3257585 0.83 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL1465907 0.81 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4KDM4AKDM4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4087444-A Amides as ovulation inhibitors ELI LILLY AND COMPANY (US) 1978-05-02 — — US disclosed
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