SCHEMBL9480445

SCHEMBL9480445

CNc1cccc(NCCN)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
KARS1 Q15046 1/20 0.40
TSHR P16473 2/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
CAMK2D Q13557 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL11810489 0.82 MAPT (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9366846 0.80 MAPT (0.77) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25824641 0.79 CYP1A2 (0.44) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
Water SCHEMBL28167834 0.78 MAPT (0.74) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29631746 0.78 MAPT (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5726787 0.78 HPGD (0.49) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL456414 0.78 MAPT (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL628205 0.78 TSHR (0.61) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9316519 0.77 SYK (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL22631193 0.77 MAPT (0.54) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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-5266448-A Black and white developing bath FUJI PHOTO FILM CO., LTD. (JP) 1993-11-30 US disclosed